==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 10-AUG-09 3IMG . COMPND 2 MOLECULE: PANTOTHENATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.CIULLI,A.W.HUNG,H.L.SILVESTRE,S.WEN,T.L.BLUNDELL,C.ABELL . 560 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23716.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 391 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 47 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 0 2 0 0 1 1 2 0 8 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 1 0 0 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 3 A I 0 0 139 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 116.3 -4.8 21.5 19.8 2 4 A P - 0 0 39 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.312 360.0 -55.9 -80.9-176.3 -2.8 24.6 18.8 3 5 A A - 0 0 59 -2,-0.1 2,-0.4 1,-0.0 18,-0.1 -0.359 47.9-171.8 -67.5 139.4 -3.8 26.6 15.6 4 6 A F - 0 0 41 -3,-0.1 94,-0.1 -2,-0.1 5,-0.0 -0.928 3.5-167.7-130.1 111.6 -4.2 24.9 12.2 5 7 A H > - 0 0 98 -2,-0.4 3,-1.1 92,-0.2 -2,-0.0 -0.849 19.6-140.9 -98.0 104.6 -4.8 27.2 9.2 6 8 A P T 3 S+ 0 0 86 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.211 83.5 30.3 -65.8 156.4 -5.8 25.0 6.2 7 9 A G T 3 S+ 0 0 71 1,-0.2 2,-0.3 88,-0.1 89,-0.1 0.543 112.4 83.8 70.1 8.9 -4.5 25.8 2.7 8 10 A E S < S- 0 0 117 -3,-1.1 2,-0.6 89,-0.1 -1,-0.2 -0.928 89.6 -98.8-134.8 159.6 -1.4 27.2 4.5 9 11 A L - 0 0 22 -2,-0.3 2,-0.5 -3,-0.1 89,-0.2 -0.742 35.4-165.6 -84.8 119.6 1.9 25.7 5.8 10 12 A N E -a 98 0A 12 87,-2.6 89,-2.6 -2,-0.6 2,-0.6 -0.933 4.2-156.9-104.1 120.6 1.7 25.2 9.6 11 13 A V E -a 99 0A 62 -2,-0.5 2,-0.4 87,-0.2 89,-0.2 -0.883 12.5-179.7-102.9 121.4 5.1 24.5 11.3 12 14 A Y E +a 100 0A 15 87,-2.5 89,-2.5 -2,-0.6 -2,-0.0 -0.973 15.7 177.3-118.8 133.9 5.1 22.7 14.7 13 15 A S + 0 0 62 -2,-0.4 90,-0.4 87,-0.2 -1,-0.1 0.764 61.7 83.3 -97.0 -33.4 8.2 21.9 16.7 14 16 A A S > S- 0 0 39 1,-0.1 4,-1.8 88,-0.1 3,-0.4 -0.564 71.2-143.5 -77.5 125.3 6.6 20.3 19.8 15 17 A P H > S+ 0 0 24 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.905 103.3 55.7 -50.3 -43.6 5.7 16.6 19.4 16 18 A G H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.867 105.5 52.9 -56.5 -40.8 2.5 17.2 21.5 17 19 A D H > S+ 0 0 62 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.946 111.7 41.5 -62.0 -53.3 1.4 20.0 19.1 18 20 A V H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.869 114.2 54.0 -65.6 -32.7 1.6 17.9 15.9 19 21 A A H X S+ 0 0 32 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.904 110.4 47.4 -66.3 -41.2 0.1 14.9 17.6 20 22 A D H X S+ 0 0 68 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.937 114.6 44.3 -64.6 -49.3 -2.9 17.1 18.7 21 23 A V H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.902 114.0 50.7 -61.4 -46.1 -3.4 18.6 15.3 22 24 A S H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.910 111.7 47.9 -56.1 -47.0 -3.1 15.2 13.6 23 25 A R H X S+ 0 0 111 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.894 112.4 48.8 -63.7 -43.2 -5.6 13.6 15.9 24 26 A A H X S+ 0 0 23 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.944 112.3 48.5 -63.3 -47.4 -8.0 16.5 15.4 25 27 A L H <>S+ 0 0 15 -4,-2.8 5,-2.4 1,-0.2 -2,-0.2 0.890 110.4 50.7 -59.7 -42.7 -7.7 16.2 11.6 26 28 A R H ><5S+ 0 0 77 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.883 108.0 53.1 -65.8 -38.1 -8.2 12.5 11.6 27 29 A L H 3<5S+ 0 0 110 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.824 105.2 53.8 -67.9 -30.7 -11.3 12.8 13.7 28 30 A T T 3<5S- 0 0 115 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.335 129.3 -98.3 -85.5 9.1 -12.8 15.3 11.3 29 31 A G T < 5S+ 0 0 58 -3,-1.3 -3,-0.2 1,-0.3 2,-0.2 0.452 77.5 137.1 95.3 2.4 -12.2 12.7 8.5 30 32 A R < - 0 0 64 -5,-2.4 2,-0.6 -6,-0.2 -1,-0.3 -0.548 52.0-129.6 -76.9 146.7 -8.9 13.9 6.9 31 33 A R E -b 58 0A 86 26,-1.7 28,-2.2 -2,-0.2 2,-0.5 -0.891 21.6-135.8 -98.8 122.4 -6.5 11.1 6.2 32 34 A V E -b 59 0A 0 -2,-0.6 119,-2.3 117,-0.2 120,-1.2 -0.649 18.0-165.6 -86.8 124.0 -3.0 12.0 7.5 33 35 A M E -bc 60 152A 0 26,-3.0 28,-3.2 -2,-0.5 2,-0.5 -0.901 4.9-155.7-104.7 136.4 -0.1 11.3 5.2 34 36 A L E -bc 61 153A 1 118,-2.5 120,-2.4 -2,-0.4 28,-0.2 -0.960 13.9-178.1-115.1 127.6 3.5 11.3 6.6 35 37 A V E -b 62 0A 0 26,-2.7 28,-1.9 -2,-0.5 2,-0.4 -0.911 18.4-155.6-116.4 99.8 6.6 12.0 4.6 36 38 A P E +b 63 0A 19 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.653 23.0 167.0 -79.8 129.4 9.6 11.6 6.9 37 39 A T E -b 64 0A 10 26,-1.7 28,-1.9 -2,-0.4 3,-0.1 -0.918 45.5-141.3-136.1 159.9 12.7 13.6 5.8 38 40 A M - 0 0 35 1,-0.5 26,-0.1 -2,-0.3 28,-0.1 -0.032 59.4-116.1-103.9 26.8 16.1 14.7 7.1 39 41 A G S S+ 0 0 2 24,-0.4 -1,-0.5 1,-0.1 3,-0.1 -0.247 84.0 108.3 71.5-161.6 15.6 18.1 5.2 40 42 A A - 0 0 1 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.965 68.9-154.4 50.3 55.9 17.8 19.3 2.3 41 43 A L + 0 0 10 42,-0.2 2,-0.2 3,-0.1 -1,-0.2 -0.338 23.3 173.5 -74.4 140.9 14.8 18.6 0.2 42 44 A H >> - 0 0 38 -3,-0.1 4,-1.8 -2,-0.1 3,-0.6 -0.712 53.5 -77.7-131.0-176.9 15.1 17.8 -3.5 43 45 A E H 3> S+ 0 0 87 1,-0.3 4,-2.1 -2,-0.2 5,-0.1 0.743 126.2 63.3 -60.7 -26.1 12.7 16.6 -6.3 44 46 A G H 3> S+ 0 0 14 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.943 106.1 43.8 -60.2 -50.7 12.8 13.1 -4.9 45 47 A H H <> S+ 0 0 30 -3,-0.6 4,-2.2 1,-0.2 3,-0.3 0.877 110.5 56.1 -59.4 -38.4 11.3 14.3 -1.7 46 48 A L H X S+ 0 0 7 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.865 102.2 56.4 -69.4 -29.8 8.8 16.4 -3.7 47 49 A A H X S+ 0 0 19 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.860 106.9 49.4 -64.6 -37.2 7.7 13.2 -5.5 48 50 A L H X S+ 0 0 10 -4,-1.2 4,-2.2 -3,-0.3 -2,-0.2 0.925 110.8 49.6 -64.3 -49.1 6.9 11.7 -2.1 49 51 A V H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.918 111.3 49.4 -53.4 -47.4 4.9 14.9 -1.2 50 52 A R H X S+ 0 0 68 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.905 109.7 50.9 -64.1 -39.6 3.0 14.7 -4.5 51 53 A A H < S+ 0 0 18 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.880 112.1 47.5 -60.7 -44.5 2.1 11.0 -4.0 52 54 A A H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.892 109.4 54.3 -58.9 -47.0 0.9 11.8 -0.5 53 55 A K H 3< S+ 0 0 109 -4,-2.6 5,-0.3 1,-0.3 -2,-0.2 0.858 98.4 63.6 -60.2 -38.4 -1.2 14.8 -1.9 54 56 A R T 3< S+ 0 0 184 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.597 76.4 100.5 -59.9 -19.1 -2.9 12.5 -4.5 55 57 A V S X S- 0 0 12 -3,-1.4 3,-1.8 -4,-0.3 -24,-0.1 -0.620 88.6-109.1 -73.6 123.2 -4.6 10.4 -1.7 56 58 A P T 3 S+ 0 0 94 0, 0.0 -25,-0.1 0, 0.0 -1,-0.1 -0.290 97.7 8.8 -60.5 136.7 -8.2 11.8 -1.6 57 59 A G T 3 S+ 0 0 47 1,-0.2 -26,-1.7 -4,-0.1 -3,-0.1 0.534 95.6 155.5 77.5 7.6 -8.9 13.8 1.6 58 60 A S E < -b 31 0A 17 -3,-1.8 2,-0.4 -5,-0.3 -1,-0.2 -0.271 35.6-161.3 -69.9 147.5 -5.3 13.8 2.6 59 61 A V E -b 32 0A 0 -28,-2.2 -26,-3.0 37,-0.0 2,-0.5 -0.988 24.7-138.2-117.4 135.0 -3.5 16.3 4.9 60 62 A V E -b 33 0A 4 -2,-0.4 38,-1.6 35,-0.2 2,-0.5 -0.838 17.1-169.5-103.9 128.4 0.3 16.0 4.3 61 63 A V E -bd 34 98A 0 -28,-3.2 -26,-2.7 -2,-0.5 2,-0.6 -0.971 3.8-169.0-110.6 121.3 2.7 16.1 7.2 62 64 A V E -bd 35 99A 1 36,-2.7 38,-2.5 -2,-0.5 2,-0.3 -0.961 8.6-155.8-108.9 122.9 6.3 16.4 6.2 63 65 A S E -bd 36 100A 0 -28,-1.9 -26,-1.7 -2,-0.6 2,-0.4 -0.768 6.6-166.9 -97.2 144.8 8.8 15.9 9.1 64 66 A I E +b 37 0A 24 36,-2.4 2,-0.3 -2,-0.3 -26,-0.2 -0.956 27.2 139.6-128.5 115.3 12.3 17.3 9.0 65 67 A F - 0 0 13 -28,-1.9 2,-0.9 -2,-0.4 -26,-0.1 -0.927 44.0-143.5-160.6 122.1 14.7 16.0 11.5 66 68 A V - 0 0 22 -2,-0.3 -28,-0.1 -28,-0.1 -2,-0.0 -0.848 31.4-143.8 -92.0 112.1 18.4 15.1 11.2 67 69 A N > - 0 0 2 -2,-0.9 3,-1.6 1,-0.2 4,-0.3 -0.694 14.8-162.5 -90.5 107.8 18.4 12.2 13.5 68 70 A P G > S+ 0 0 36 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.770 84.0 68.3 -59.5 -24.6 21.7 11.9 15.5 69 71 A M G 3 S+ 0 0 23 1,-0.3 67,-0.3 67,-0.2 68,-0.2 0.636 95.0 53.4 -72.9 -15.8 21.0 8.2 16.3 70 72 A Q G < S+ 0 0 19 -3,-1.6 2,-0.4 66,-0.3 -1,-0.3 0.396 98.4 78.0 -99.0 1.5 21.5 6.9 12.7 71 73 A F < - 0 0 35 -3,-1.3 2,-0.2 -4,-0.3 3,-0.1 -0.889 67.9-152.6-105.7 138.0 24.9 8.6 12.4 72 74 A G > - 0 0 39 -2,-0.4 4,-0.6 1,-0.2 5,-0.4 -0.627 44.4 -39.0 -94.3 168.1 28.1 7.2 13.9 73 75 A A T 4 S+ 0 0 100 -2,-0.2 2,-0.2 2,-0.1 -1,-0.2 -0.205 91.1 7.9 -53.4 154.2 31.1 9.3 15.0 74 76 A G T 4 S- 0 0 68 -3,-0.1 -3,-0.0 2,-0.0 3,-0.0 -0.459 110.2 -7.1 -80.8 -77.8 32.6 11.7 14.1 75 77 A G T > S+ 0 0 40 -2,-0.2 4,-1.0 2,-0.1 -2,-0.1 -0.280 91.5 86.8 136.7 -76.9 31.8 13.5 11.8 76 78 A D H X S+ 0 0 51 -4,-0.6 4,-0.8 1,-0.2 -3,-0.1 0.845 91.7 58.7 -65.9 -40.9 28.9 12.6 9.5 77 79 A L H >4 S+ 0 0 46 -5,-0.4 3,-0.9 1,-0.2 -1,-0.2 0.926 107.3 45.4 -59.2 -47.8 26.2 14.2 11.7 78 80 A D H 34 S+ 0 0 141 1,-0.2 -1,-0.2 3,-0.0 -2,-0.2 0.781 111.9 55.1 -66.5 -26.5 27.9 17.7 11.6 79 81 A A H 3< S+ 0 0 62 -4,-1.0 -1,-0.2 -3,-0.1 -2,-0.2 0.557 75.9 114.8 -84.6 -13.0 28.4 17.3 7.8 80 82 A Y S << S- 0 0 34 -3,-0.9 -40,-0.1 -4,-0.8 2,-0.1 -0.426 78.7-105.1 -64.2 131.4 24.7 16.6 6.9 81 83 A P - 0 0 16 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.333 36.0-166.3 -64.0 131.0 23.4 19.5 4.7 82 84 A R + 0 0 120 -43,-0.1 -43,-0.1 -2,-0.1 -2,-0.0 -0.965 24.6 150.8-121.1 114.5 21.0 21.8 6.5 83 85 A T > + 0 0 39 -2,-0.5 4,-2.6 1,-0.1 -42,-0.2 -0.436 2.7 160.3-137.7 63.4 18.9 24.2 4.5 84 86 A P H > S+ 0 0 75 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.779 74.8 59.2 -58.7 -30.7 15.6 24.8 6.4 85 87 A D H > S+ 0 0 143 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.962 111.1 39.8 -62.9 -55.0 14.9 28.1 4.5 86 88 A D H > S+ 0 0 95 2,-0.2 4,-2.8 -3,-0.2 5,-0.2 0.942 115.0 55.6 -55.2 -49.0 14.8 26.3 1.2 87 89 A D H X S+ 0 0 3 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.928 109.6 41.7 -54.2 -57.6 12.9 23.3 2.7 88 90 A L H X S+ 0 0 38 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.855 114.0 54.3 -62.0 -35.6 9.9 25.1 4.1 89 91 A A H X S+ 0 0 52 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.914 107.9 49.1 -62.2 -46.4 9.7 27.3 1.0 90 92 A Q H X S+ 0 0 57 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.893 111.4 50.8 -58.8 -39.2 9.6 24.1 -1.2 91 93 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.1 -5,-0.2 3,-0.7 0.911 108.3 50.6 -67.6 -43.9 6.8 22.8 1.1 92 94 A R H ><5S+ 0 0 148 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.922 109.2 52.5 -54.8 -46.3 4.8 26.0 0.8 93 95 A A H 3<5S+ 0 0 83 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.692 108.1 51.5 -63.4 -20.8 5.1 25.8 -3.0 94 96 A E T <<5S- 0 0 40 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.453 113.6-117.8 -96.9 -0.6 3.8 22.2 -2.9 95 97 A G T < 5 + 0 0 36 -3,-1.5 2,-0.2 -4,-0.4 -3,-0.2 0.747 53.8 165.1 65.9 25.3 0.7 23.2 -0.8 96 98 A V < - 0 0 2 -5,-2.1 -1,-0.2 -6,-0.1 3,-0.1 -0.569 24.3-159.7 -67.0 136.5 1.8 21.0 2.1 97 99 A E + 0 0 25 -37,-0.4 -87,-2.6 -2,-0.2 2,-0.4 0.698 66.5 42.4 -95.4 -22.9 -0.1 22.0 5.2 98 100 A I E -ad 10 61A 0 -38,-1.6 -36,-2.7 -89,-0.2 2,-0.4 -0.982 51.6-179.5-131.8 123.5 2.0 20.6 8.0 99 101 A A E -ad 11 62A 0 -89,-2.6 -87,-2.5 -2,-0.4 2,-0.6 -0.977 13.8-158.2-109.6 137.2 5.7 20.6 8.6 100 102 A F E +ad 12 63A 0 -38,-2.5 -36,-2.4 -2,-0.4 -87,-0.2 -0.961 15.8 172.7-116.2 115.9 7.0 18.9 11.8 101 103 A T - 0 0 36 -89,-2.5 -36,-0.1 -2,-0.6 -38,-0.1 -0.668 12.6-176.7-128.0 70.9 10.4 20.2 12.9 102 104 A P - 0 0 11 0, 0.0 2,-0.2 0, 0.0 -88,-0.1 -0.302 23.1-118.4 -72.4 156.3 11.2 18.8 16.3 103 105 A T > - 0 0 79 -90,-0.4 4,-1.6 1,-0.1 5,-0.2 -0.485 23.2-115.3 -81.9 162.7 14.3 19.5 18.4 104 106 A T H > S+ 0 0 73 1,-0.2 4,-3.1 2,-0.2 3,-0.2 0.929 118.1 54.0 -62.0 -41.6 16.9 16.8 19.4 105 107 A A H 4 S+ 0 0 73 1,-0.2 -1,-0.2 2,-0.2 6,-0.1 0.854 107.4 49.5 -61.2 -35.8 15.9 17.4 23.0 106 108 A A H 4 S+ 0 0 34 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.834 117.3 41.1 -74.9 -31.8 12.2 16.9 22.3 107 109 A M H < S+ 0 0 1 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.807 129.6 26.1 -82.7 -33.9 13.0 13.6 20.4 108 110 A Y >< + 0 0 31 -4,-3.1 3,-1.8 -5,-0.2 -1,-0.2 -0.375 65.5 148.6-129.1 55.3 15.6 12.3 22.8 109 111 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.778 86.3 37.7 -64.0 -23.2 14.9 13.8 26.2 110 112 A D T 3 S- 0 0 86 1,-0.4 2,-0.1 -3,-0.2 -5,-0.1 0.113 108.6-128.7-109.7 20.1 16.3 10.6 27.8 111 113 A G < - 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